2-[4-(11-fluoranyltridecyl)phenyl]-5-pentoxy-pyrimidine

Systemtic Name: 2-[4-(11-fluoranyltridecyl)phenyl]-5-pentoxy-pyrimidine Openeye Name: 2-[4-(11-fluorotridecyl)phenyl]-5-pentoxy-pyrimidine CAS Name: 2-[4-(11-fluorotridecyl)phenyl]-5-pentoxypyrimidine IUPAC Name: 2-[4-(11-fluorotridecyl)phenyl]-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-[4-(11-fluorotridecyl)phenyl]pyrimidine Formula: C28H43FN2O MolecularWeight: 442.652223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCCCCC(CC)F

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCCCCC(CC)F

InChI

InChI=1S/C28H43FN2O/c1-3-5-14-21-32-27-22-30-28(31-23-27)25-19-17-24(18-20-25)15-12-10-8-6-7-9-11-13-16-26(29)4-2/h17-20,22-23,26H,3-16,21H2,1-2H3